BDBM50037841 (3S,4aS,8aS)-2-[(R)-3-({(2R,4S)-2-[Benzylcarbamoyl-((S)-phenylacetylamino)-methyl]-5,5-dimethyl-thiazolidine-4-carbonyl}-amino)-2-hydroxy-propyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide::CHEMBL333738
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H](O)CNC(=O)[C@@H]1N[C@H](SC1(C)C)C(NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1
InChI Key: InChIKey=XJHMCPFZQMVQJB-BHOJLHHWSA-N
Data: 1 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM50037841 ((3S,4aS,8aS)-2-[(R)-3-({(2R,4S)-2-[Benzylcarbamoyl...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Limited Curated by ChEMBL | Assay Description In vitro inhibitory activity against HIV proteinase | J Med Chem 37: 3707-16 (1994) BindingDB Entry DOI: 10.7270/Q2V40T88 | |||||||||||
More data for this Ligand-Target Pair |